1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C23H29NO6 MolecularWeight: 415.47946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C23H29NO6/c1-27-16-10-11-17(20(13-16)29-3)21(24-12-6-7-15(14-24)23(25)26)18-8-5-9-19(28-2)22(18)30-4/h5,8-11,13,15,21H,6-7,12,14H2,1-4H3,(H,25,26)